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Home > Aldehydes > 944899-55-2
944899-55-2 | 2-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS No: 944899-55-2 Catalog No: AG01C8QC MDL No:MFCD10696892
Product Description
Catalog Number:
AG01C8QC
Chemical Name:
2-(PIPERAZIN-1-YL)PYRIMIDINE-5-CARBALDEHYDE
CAS Number:
944899-55-2
Molecular Formula:
C9H12N4O
Molecular Weight:
192.2178
MDL Number:
MFCD10696892
IUPAC Name:
2-piperazin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H12N4O/c14-7-8-5-11-9(12-6-8)13-3-1-10-2-4-13/h5-7,10H,1-4H2
InChI Key:
VLSMIYJLGRKJQQ-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCNCC1
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.101g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.222g/mol
Monoisotopic Mass:
192.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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